Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.62 |
| ▸ | CCR5 | P51681 | 3/20 | 0.59 |
| ▸ | LTB4R | Q15722 | 5/20 | 0.50 |
| ▸ | LTB4R2 | Q9NPC1 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9239998 | 0.88 | TACR1 (0.59) | TACR1CCR5MEN1KMT2ATDP1 | |
| SCHEMBL9114494 | 0.87 | TACR1 (0.64) | TACR1CCR5LTB4RLTB4R2MEN1 | |
| SCHEMBL9117039 | 0.82 | MEN1 (0.59) | TACR1CCR5MEN1KMT2ATDP1 | |
| SCHEMBL9114531 | 0.80 | TACR1 (0.77) | TACR1CCR5LTB4RLTB4R2MEN1 | |
| SCHEMBL9114442 | 0.76 | TACR1 (1.00) | TACR1CCR5MEN1KMT2ATDP1 | |
| SCHEMBL9116017 | 0.75 | MEN1 (0.68) | TACR1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL9116053 | 0.74 | TACR1 (0.62) | TACR1CCR5MEN1KMT2ATDP1 | |
| SCHEMBL9114068 | 0.73 | TACR1 (0.64) | TACR1LTB4RLTB4R2MEN1KMT2A | |
| SCHEMBL14216819 | 0.72 | MTNR1A (0.53) | TACR1TDP1ALDH1A1PTGDR2MTNR1A | |
| SCHEMBL9112410 | 0.72 | TACR1 (0.70) | TACR1MEN1KMT2ATDP1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995011880-A1 | SUBSTITUTED AMIDES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-05-04 | — | — | WO | disclosed |